Compound Identification
SMILES
O=C(CNC(=O)C1=CC2=C(OCCO2)C=C1)NN=CC1=CC(=O)NC(=O)N1
InChIKey
InChIKey=AZTUAOKXYZEUOB-UHFFFAOYSA-N
Formula
C16H15N5O6
Mass
373.325
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
- Level 5 Amino acids and derivatives
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Subclass
Amino acids, peptides, and analogues
-
Class
Carboxylic acids and derivatives
-
Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Amino acids, peptides, and analogues
Intermediate Tree Nodes
Amino acids and derivatives - Alpha amino acids and derivatives
Direct Parent
N-acyl-alpha amino acids and derivatives
Alternative Parents
Benzo-1,4-dioxanes Pyrimidones Alkyl aryl ethers Para dioxins Benzenoids Hydropyrimidines Vinylogous amides Heteroaromatic compounds Ureas Secondary carboxylic acid amides Lactams Oxacyclic compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Benzo-1,4-dioxane - Benzodioxane - Alkyl aryl ether - Pyrimidone - Hydropyrimidine - Para-dioxin - Pyrimidine - Benzenoid - Vinylogous amide - Heteroaromatic compound - Urea - Secondary carboxylic acid amide - Carboxamide group - Lactam - Oxacycle - Azacycle - Organoheterocyclic compound - Ether - Organopnictogen compound - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.
External Descriptors
Not available